SCHEMBL1991988

SCHEMBL1991988

CN(C)CCCCn1nc(CC(N)=O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.45
ADRA1A P35348 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
HRH1 P35367 1/20 0.42
ADRA1B P35368 1/20 0.42
CNR1 P21554 5/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
ICMT O60725 1/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2D6 P10635 2/20 0.40
GUCY1B2 O75343 1/20 0.40
CYP1A2 P05177 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1995348 0.96 ADRA1A (0.46) TOP2AADRA1AHRH3HRH1ADRA1B
SCHEMBL13013370 0.84 ADRA1A (0.43) TOP2AADRA1AHRH3HRH1ADRA1B
SCHEMBL1993828 0.84 RECQL (0.55) TOP2AADRA1AHRH3KDM4ECYP2D6
SCHEMBL13013360 0.83 HTR3A (0.45) CNR1ICMTKDM4ETSHRHSD17B10
SCHEMBL1992765 0.80 RECQL (0.56) ADRA1AHRH3HRH1ADRA1BKDM4E
SCHEMBL13013352 0.76 CNR1 (0.43) CNR1ICMTKDM4ETSHRHSD17B10
SCHEMBL2588997 0.76 KDM4E (0.46) ICMTKDM4ETSHRPOLBMAPT
SCHEMBL1994502 0.73 ROCK2 (0.44) ADRA1AHRH1ADRA1BCNR1KDM4E
SCHEMBL1992793 0.72 PADI4 (0.45) CNR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL1992796 0.72 PADI4 (0.45) CNR1HDAC3HDAC1HDAC2HDAC10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO TOP2A 2466/4885ADRA1A 272/4885HRH3 620/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.